ChemSpider 2D Image | 9-(2-Deoxy-beta-L-threo-pentofuranosyl)-6-{[2-hydroxy(~2~H_4_)ethyl]oxy}-9H-purin-2-amine | C12H13D4N5O5

9-(2-Deoxy-β-L-threo-pentofuranosyl)-6-{[2-hydroxy(2H4)ethyl]oxy}-9H-purin-2-amine

  • Molecular FormulaC12H13D4N5O5
  • Average mass315.319 Da
  • Monoisotopic mass315.148071 Da
  • ChemSpider ID78076145

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9-(2-Deoxy-β-L-threo-pentofuranosyl)-6-{[2-hydroxy(2H4)ethyl]oxy}-9H-purin-2-amine [ACD/IUPAC Name]
9-(2-Desoxy-β-L-threo-pentofuranosyl)-6-{[2-hydroxy(2H4)ethyl]oxy}-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-β-L-thréo-pentofuranosyl)-6-{[2-hydroxy(2H4)éthyl]oxy}-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-(2-deoxy-β-L-threo-pentofuranosyl)-6-[(2-hydroxyethyl-1,1,2,2-d4)oxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 745.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 70.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.33
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.34
Polar Surface Area: 149 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 86.8±7.0 dyne/cm
Molar Volume: 166.8±7.0 cm3

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